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Publications by James McDonagh

Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields

English

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Interaction of Poloxamers With Lipid Bilayer: Molecular Dynamics Simulations Using United Atom and Coarse-Grained Force Fields

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A Rigorous Approach to Derive Analytical Expressions in Coarse-Grained Force Fields

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Technologies for Developing Predictive Atomistic and Coarse-Grained Force Fields for Ionic Liquid Property Prediction

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Predicting Protein–protein Association Rates Using Coarse-Grained Simulation and Machine Learning

Scientific Reports

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Coarse-Grained Force Field: General Folding Theory

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Extension of the Force Matching Method to Anisotropic Coarse-Grained Transferable Force Fields: Application to the Unres Model of Proteins

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CGPA: Coarse-Grained Pruning of Activations for Energy-Efficient RNN Inference

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The Multiscale Coarse-Graining Method. II. Numerical Implementation for Coarse-Grained Molecular Models

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A Universal Strategy for the Creation of Machine Learning-Based Atomistic Force Fields

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Computer Science Applications

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